Found 5 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor beta' and Ligand = 'BDBM18884' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.0 | 4 |
Karo Bio AB
| Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. |
J Med Chem 49: 6635-7 (2006)
Article DOI: 10.1021/jm060521i BindingDB Entry DOI: 10.7270/Q23B5XDF |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.0 | 4 |
Karo Bio AB
| Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. |
Bioorg Med Chem Lett 17: 2018-21 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.009 BindingDB Entry DOI: 10.7270/Q2R20ZMS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1) |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (docked) |